Pulsed-nozzle Fourier-transform microwave spectroscopy of laser-vaporized metal oxides: Rotational spectra and electric dipole moments of YO, LaO, ZrO, and HfO

Abstract

The rotational spectra of YO, LaO, ZrO, and HfO have been measured using a Fourier-transform microwave spectrometer in combination with a laser-ablation source. Here, a Q-switched Nd:YAG laser (532 nm) was used to vaporize the metal oxides from a target source rod located in the throat of a pulsed-molecular-beam valve. A description of the instrument is given. The electric dipole moments of the four species have been measured and compared to ab initio results, where available. The experimental values are μYO =4.524(7), μLaO =3.207(11), μZrO =2.551(11), and μHfO =3.431(5) D. Of special note are the extremely large nuclear quadrupole coupling constants, eQq, determined for the 177HfO and 179HfO isotopic species, with values of −5952.649(35) MHz and −6726.981(39) MHz, respectively. This is the first determination of nuclear quadrupole coupling constants for a molecule containing the Hf atom.